methyl (2S,3R)-3-[1-(4-methylphenyl)sulfonylindol-3-yl]-3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S,3R)-3-[1-(4-methylphenyl)sulfonylindol-3-yl]-3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S,3R)-2-(benzyloxycarbonylamino)-3-hydroxy-3-[1-(p-tolylsulfonyl)indol-3-yl]propanoate CAS Name: (2S,3R)-3-hydroxy-3-[1-(4-methylphenyl)sulfonyl-3-indolyl]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-hydroxy-3-[1-(4-methylphenyl)sulfonylindol-3-yl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S,3R)-2-(benzyloxycarbonylamino)-3-hydroxy-3-(1-tosylindol-3-yl)propionic acid methyl ester Formula: C27H26N2O7S MolecularWeight: 522.56954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(C(C(=O)OC)NC(=O)OCC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)[C@H]([C@@H](C(=O)OC)NC(=O)OCC4=CC=CC=C4)O

InChI

InChI=1S/C27H26N2O7S/c1-18-12-14-20(15-13-18)37(33,34)29-16-22(21-10-6-7-11-23(21)29)25(30)24(26(31)35-2)28-27(32)36-17-19-8-4-3-5-9-19/h3-16,24-25,30H,17H2,1-2H3,(H,28,32)/t24-,25+/m0/s1